CID 22833372

10,10-dimethylundecan-1-amine

Structural Information

Molecular Formula
C13H29N
SMILES
CC(C)(C)CCCCCCCCCN
InChI
InChI=1S/C13H29N/c1-13(2,3)11-9-7-5-4-6-8-10-12-14/h4-12,14H2,1-3H3
InChIKey
XWBTWKLPOWCMEX-UHFFFAOYSA-N
Compound name
10,10-dimethylundecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

199.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 155.7
[M+Na]+ 222.219218 159.7
[M-H]- 198.222724 154.5
[M+NH4]+ 217.263823 174.9
[M+K]+ 238.193158 157.6
[M+H-H2O]+ 182.227260 150.4
[M+HCOO]- 244.228201 176.0
[M+CH3COO]- 258.243851 192.3
[M+Na-2H]- 220.204666 158.7
[M]+ 199.22945142 157.2
[M]- 199.23054858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe